MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004470
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004470
RECORD_TITLE: 6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: 6-METHYL-4-OXO-6,7,8,9-TETRAHYDRO-4H-PYRIDO(1,2-A)PYRIMIDINE-3-CARBOXYLIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12N2O3
CH$EXACT_MASS: 208.08479
CH$SMILES: OC(=O)C(=C1)C(=O)N(C(C)2)C(CCC2)=N1
CH$IUPAC: InChI=1S/C10H12N2O3/c1-6-3-2-4-8-11-5-7(10(14)15)9(13)12(6)8/h5-6H,2-4H2,1H3,(H,14,15)
CH$LINK: CAS
32092-24-3
CH$LINK: INCHIKEY
KOXNRJHZWXSKMF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10953977
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01ox-1900000000-0bcd19ce4aaab46dad13
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
52 3 30
53 12 120
54 6 60
55 0.8 8
66 4 40
67 7 70
68 11 110
69 1 10
70 8 80
78 5 50
79 3 30
80 0.5 5
81 5 50
82 5 50
93 4 40
94 0.8 8
95 7 70
96 6 60
106 6 60
107 1.4 14
108 12 120
109 4 40
110 10 100
111 0.2 2
119 3 30
120 2 20
121 8 80
122 0.3 3
123 4 40
133 13 130
134 31 310
135 1 10
136 37 370
137 3 30
149 10 100
154 0.3 3
161 5 50
162 29 290
163 68 680
164 9 90
165 9 90
175 26 260
189 14 140
190 99.99 999
191 13 130
208 19 190
209 2 20
//